USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 714 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 HIS : no HE2:sc= -0.453 K(o=-0.078,f=-1.8!) USER MOD Set 1.2: A 113 THR OG1 : rot -57:sc= 0.375 USER MOD Set 2.1: A 40 ASN : amide:sc= -1.42 K(o=-0.32,f=-7.2!) USER MOD Set 2.2: A 44 THR OG1 : rot -130:sc= -0.0143 USER MOD Set 2.3: A 91 GLN : amide:sc= 1.11 K(o=-0.32,f=-4.9!) USER MOD Set 3.1: A 57 ASN : amide:sc= -1.21 K(o=-1.1,f=-8.9!) USER MOD Set 3.2: A 58 GLN : amide:sc= 0.099 K(o=-1.1,f=-3.8!) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.096 (180deg=-0.449) USER MOD Single : A 39 LYS NZ :NH3+ 146:sc= 1.16 (180deg=0.527) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -132:sc= 0.829 (180deg=-0.0551) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.2 K(o=1.2,f=-1.8) USER MOD Single : A 62 THR OG1 : rot -66:sc= 1.09 USER MOD Single : A 66 SER OG : rot -92:sc= 1.19 USER MOD Single : A 70 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.11) USER MOD Single : A 76 ASN : amide:sc=-0.00398 X(o=-0.004,f=-0.014) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 15:sc= 1.15 USER MOD Single : A 89 CYS SG : rot 141:sc= -2.33! USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.458 K(o=-0.46,f=-7.2!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 105 ASN :FLIP amide:sc= -0.997 F(o=-1.9!,f=-1) USER MOD Single : A 108 TYR OH : rot -145:sc= 1.24 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.394 USER MOD Single : A 114 CYS SG : rot 16:sc= 0.271 USER MOD Single : A 115 GLN : amide:sc= -2.11 X(o=-2.1,f=-2.3!) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 121 HIS : no HE2:sc= 0.865 K(o=0.87,f=-3.2!) USER MOD Single : A 131 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0191) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 8.986 8.874 -4.129 1.00 0.00 N ATOM 505 CA TRP A 37 7.824 8.088 -3.785 1.00 0.00 C ATOM 506 C TRP A 37 8.008 6.668 -4.288 1.00 0.00 C ATOM 507 O TRP A 37 8.674 6.452 -5.313 1.00 0.00 O ATOM 508 CB TRP A 37 6.553 8.712 -4.390 1.00 0.00 C ATOM 509 CG TRP A 37 6.162 10.041 -3.788 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.813 11.239 -3.914 1.00 0.00 C ATOM 511 CD2 TRP A 37 5.004 10.303 -2.989 1.00 0.00 C ATOM 512 NE1 TRP A 37 6.144 12.215 -3.218 1.00 0.00 N ATOM 513 CE2 TRP A 37 5.026 11.667 -2.650 1.00 0.00 C ATOM 514 CE3 TRP A 37 3.953 9.513 -2.522 1.00 0.00 C ATOM 515 CZ2 TRP A 37 4.037 12.256 -1.866 1.00 0.00 C ATOM 516 CZ3 TRP A 37 2.975 10.099 -1.747 1.00 0.00 C ATOM 517 CH2 TRP A 37 3.023 11.458 -1.426 1.00 0.00 C ATOM 0 HA TRP A 37 7.711 8.072 -2.701 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.702 8.842 -5.462 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.726 8.013 -4.266 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.721 11.394 -4.479 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.433 13.190 -3.137 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.906 8.461 -2.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.072 13.306 -1.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.157 9.497 -1.381 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.240 11.885 -0.817 1.00 0.00 H new ATOM 528 N LYS A 38 7.463 5.718 -3.572 1.00 0.00 N ATOM 529 CA LYS A 38 7.516 4.328 -3.966 1.00 0.00 C ATOM 530 C LYS A 38 6.101 3.819 -4.090 1.00 0.00 C ATOM 531 O LYS A 38 5.215 4.332 -3.436 1.00 0.00 O ATOM 532 CB LYS A 38 8.274 3.470 -2.944 1.00 0.00 C ATOM 533 CG LYS A 38 9.652 3.998 -2.568 1.00 0.00 C ATOM 534 CD LYS A 38 10.465 2.968 -1.796 1.00 0.00 C ATOM 535 CE LYS A 38 10.863 1.786 -2.681 1.00 0.00 C ATOM 536 NZ LYS A 38 11.642 2.220 -3.871 1.00 0.00 N ATOM 0 H LYS A 38 6.968 5.884 -2.696 1.00 0.00 H new ATOM 0 HA LYS A 38 8.048 4.256 -4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.671 3.389 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.383 2.462 -3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.191 4.282 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.543 4.900 -1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.361 3.439 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.885 2.608 -0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.454 1.080 -2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.966 1.259 -3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.159 1.407 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.994 2.598 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.319 2.959 -3.592 1.00 0.00 H new ATOM 550 N LYS A 39 5.884 2.851 -4.919 1.00 0.00 N ATOM 551 CA LYS A 39 4.563 2.312 -5.124 1.00 0.00 C ATOM 552 C LYS A 39 4.424 1.002 -4.359 1.00 0.00 C ATOM 553 O LYS A 39 5.336 0.184 -4.365 1.00 0.00 O ATOM 554 CB LYS A 39 4.357 2.074 -6.617 1.00 0.00 C ATOM 555 CG LYS A 39 2.940 1.734 -7.034 1.00 0.00 C ATOM 556 CD LYS A 39 2.886 1.496 -8.531 1.00 0.00 C ATOM 557 CE LYS A 39 1.474 1.254 -9.021 1.00 0.00 C ATOM 558 NZ LYS A 39 0.608 2.446 -8.861 1.00 0.00 N ATOM 0 H LYS A 39 6.612 2.406 -5.477 1.00 0.00 H new ATOM 0 HA LYS A 39 3.811 3.012 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.671 2.967 -7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.014 1.264 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.599 0.845 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.266 2.547 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.306 2.358 -9.050 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.509 0.638 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.501 0.967 -10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.041 0.417 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.075 2.487 -9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.096 2.384 -7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.195 3.305 -8.868 1.00 0.00 H new ATOM 572 N ASN A 40 3.322 0.822 -3.678 1.00 0.00 N ATOM 573 CA ASN A 40 3.077 -0.424 -2.963 1.00 0.00 C ATOM 574 C ASN A 40 2.248 -1.371 -3.826 1.00 0.00 C ATOM 575 O ASN A 40 1.792 -0.987 -4.922 1.00 0.00 O ATOM 576 CB ASN A 40 2.426 -0.200 -1.561 1.00 0.00 C ATOM 577 CG ASN A 40 1.055 0.474 -1.560 1.00 0.00 C ATOM 578 OD1 ASN A 40 0.266 0.337 -2.492 1.00 0.00 O ATOM 579 ND2 ASN A 40 0.762 1.194 -0.506 1.00 0.00 N ATOM 0 H ASN A 40 2.577 1.514 -3.598 1.00 0.00 H new ATOM 0 HA ASN A 40 4.045 -0.886 -2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.334 -1.167 -1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.106 0.403 -0.959 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.143 1.660 -0.442 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.439 1.288 0.251 1.00 0.00 H new ATOM 586 N GLN A 41 2.039 -2.590 -3.345 1.00 0.00 N ATOM 587 CA GLN A 41 1.290 -3.624 -4.081 1.00 0.00 C ATOM 588 C GLN A 41 -0.167 -3.231 -4.290 1.00 0.00 C ATOM 589 O GLN A 41 -0.816 -3.699 -5.222 1.00 0.00 O ATOM 590 CB GLN A 41 1.367 -4.976 -3.360 1.00 0.00 C ATOM 591 CG GLN A 41 0.694 -5.000 -1.997 1.00 0.00 C ATOM 592 CD GLN A 41 0.847 -6.325 -1.304 1.00 0.00 C ATOM 593 OE1 GLN A 41 1.801 -6.542 -0.561 1.00 0.00 O ATOM 594 NE2 GLN A 41 -0.066 -7.228 -1.543 1.00 0.00 N ATOM 0 H GLN A 41 2.380 -2.899 -2.435 1.00 0.00 H new ATOM 0 HA GLN A 41 1.759 -3.716 -5.061 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.909 -5.737 -3.991 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.415 -5.250 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.119 -4.215 -1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.366 -4.775 -2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.845 -7.013 -2.166 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.000 -8.148 -1.107 1.00 0.00 H new ATOM 603 N TYR A 42 -0.653 -2.335 -3.450 1.00 0.00 N ATOM 604 CA TYR A 42 -2.028 -1.895 -3.507 1.00 0.00 C ATOM 605 C TYR A 42 -2.198 -0.811 -4.566 1.00 0.00 C ATOM 606 O TYR A 42 -3.307 -0.359 -4.833 1.00 0.00 O ATOM 607 CB TYR A 42 -2.499 -1.399 -2.129 1.00 0.00 C ATOM 608 CG TYR A 42 -2.393 -2.440 -1.024 1.00 0.00 C ATOM 609 CD1 TYR A 42 -3.068 -3.652 -1.116 1.00 0.00 C ATOM 610 CD2 TYR A 42 -1.614 -2.215 0.101 1.00 0.00 C ATOM 611 CE1 TYR A 42 -2.971 -4.606 -0.122 1.00 0.00 C ATOM 612 CE2 TYR A 42 -1.511 -3.168 1.103 1.00 0.00 C ATOM 613 CZ TYR A 42 -2.193 -4.359 0.986 1.00 0.00 C ATOM 614 OH TYR A 42 -2.092 -5.311 1.979 1.00 0.00 O ATOM 0 H TYR A 42 -0.104 -1.895 -2.712 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.651 -2.745 -3.788 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.910 -0.526 -1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.536 -1.072 -2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.681 -3.852 -1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.079 -1.282 0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.503 -5.541 -0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.898 -2.977 1.972 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.504 -4.981 2.690 1.00 0.00 H new ATOM 624 N GLY A 43 -1.089 -0.384 -5.151 1.00 0.00 N ATOM 625 CA GLY A 43 -1.134 0.582 -6.217 1.00 0.00 C ATOM 626 C GLY A 43 -0.930 1.991 -5.730 1.00 0.00 C ATOM 627 O GLY A 43 -0.830 2.919 -6.530 1.00 0.00 O ATOM 0 H GLY A 43 -0.151 -0.696 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.367 0.341 -6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.096 0.513 -6.725 1.00 0.00 H new ATOM 631 N THR A 44 -0.824 2.145 -4.450 1.00 0.00 N ATOM 632 CA THR A 44 -0.693 3.428 -3.835 1.00 0.00 C ATOM 633 C THR A 44 0.778 3.867 -3.837 1.00 0.00 C ATOM 634 O THR A 44 1.684 3.035 -3.670 1.00 0.00 O ATOM 635 CB THR A 44 -1.177 3.321 -2.384 1.00 0.00 C ATOM 636 OG1 THR A 44 -2.406 2.586 -2.356 1.00 0.00 O ATOM 637 CG2 THR A 44 -1.409 4.690 -1.787 1.00 0.00 C ATOM 0 H THR A 44 -0.826 1.368 -3.789 1.00 0.00 H new ATOM 0 HA THR A 44 -1.284 4.159 -4.387 1.00 0.00 H new ATOM 0 HB THR A 44 -0.411 2.812 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.072 3.081 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.752 4.585 -0.758 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.478 5.257 -1.803 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.165 5.217 -2.369 1.00 0.00 H new ATOM 645 N TRP A 45 1.008 5.131 -4.073 1.00 0.00 N ATOM 646 CA TRP A 45 2.336 5.684 -3.982 1.00 0.00 C ATOM 647 C TRP A 45 2.515 6.214 -2.585 1.00 0.00 C ATOM 648 O TRP A 45 1.606 6.842 -2.054 1.00 0.00 O ATOM 649 CB TRP A 45 2.540 6.811 -4.991 1.00 0.00 C ATOM 650 CG TRP A 45 2.544 6.381 -6.432 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.493 6.390 -7.306 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.670 5.895 -7.166 1.00 0.00 C ATOM 653 NE1 TRP A 45 1.906 5.948 -8.539 1.00 0.00 N ATOM 654 CE2 TRP A 45 3.240 5.633 -8.476 1.00 0.00 C ATOM 655 CE3 TRP A 45 5.007 5.659 -6.837 1.00 0.00 C ATOM 656 CZ2 TRP A 45 4.100 5.147 -9.456 1.00 0.00 C ATOM 657 CZ3 TRP A 45 5.857 5.176 -7.809 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.402 4.924 -9.106 1.00 0.00 C ATOM 0 H TRP A 45 0.287 5.804 -4.332 1.00 0.00 H new ATOM 0 HA TRP A 45 3.069 4.909 -4.206 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.752 7.551 -4.851 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.486 7.307 -4.773 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.487 6.699 -7.063 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.317 5.867 -9.367 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.369 5.852 -5.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.750 4.953 -10.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.892 4.989 -7.564 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.092 4.546 -9.846 1.00 0.00 H new ATOM 669 N TYR A 46 3.639 5.948 -1.988 1.00 0.00 N ATOM 670 CA TYR A 46 3.897 6.363 -0.634 1.00 0.00 C ATOM 671 C TYR A 46 5.306 6.892 -0.489 1.00 0.00 C ATOM 672 O TYR A 46 6.180 6.600 -1.312 1.00 0.00 O ATOM 673 CB TYR A 46 3.669 5.194 0.352 1.00 0.00 C ATOM 674 CG TYR A 46 4.607 4.013 0.172 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.315 3.005 -0.731 1.00 0.00 C ATOM 676 CD2 TYR A 46 5.790 3.917 0.899 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.167 1.939 -0.905 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.646 2.855 0.726 1.00 0.00 C ATOM 679 CZ TYR A 46 6.324 1.868 -0.179 1.00 0.00 C ATOM 680 OH TYR A 46 7.176 0.803 -0.367 1.00 0.00 O ATOM 0 H TYR A 46 4.406 5.436 -2.424 1.00 0.00 H new ATOM 0 HA TYR A 46 3.198 7.165 -0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.774 5.571 1.370 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.642 4.843 0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.404 3.056 -1.308 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.040 4.690 1.611 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.923 1.161 -1.613 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.562 2.795 1.294 1.00 0.00 H new ATOM 0 HH TYR A 46 7.954 0.898 0.222 1.00 0.00 H new ATOM 690 N LYS A 47 5.514 7.665 0.537 1.00 0.00 N ATOM 691 CA LYS A 47 6.817 8.162 0.884 1.00 0.00 C ATOM 692 C LYS A 47 6.940 8.162 2.411 1.00 0.00 C ATOM 693 O LYS A 47 5.911 8.257 3.112 1.00 0.00 O ATOM 694 CB LYS A 47 7.044 9.597 0.359 1.00 0.00 C ATOM 695 CG LYS A 47 6.177 10.663 1.017 1.00 0.00 C ATOM 696 CD LYS A 47 6.665 12.058 0.674 1.00 0.00 C ATOM 697 CE LYS A 47 5.884 13.111 1.432 1.00 0.00 C ATOM 698 NZ LYS A 47 6.415 14.465 1.196 1.00 0.00 N ATOM 0 H LYS A 47 4.773 7.973 1.167 1.00 0.00 H new ATOM 0 HA LYS A 47 7.567 7.518 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.092 9.860 0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.858 9.610 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.143 10.546 0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.188 10.527 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.725 12.145 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.565 12.228 -0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.837 13.074 1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.916 12.889 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.529 14.957 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.337 14.398 0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.754 14.997 0.595 1.00 0.00 H new ATOM 712 N PRO A 48 8.152 8.033 2.958 1.00 0.00 N ATOM 713 CA PRO A 48 8.362 8.116 4.392 1.00 0.00 C ATOM 714 C PRO A 48 8.399 9.582 4.848 1.00 0.00 C ATOM 715 O PRO A 48 9.210 10.375 4.358 1.00 0.00 O ATOM 716 CB PRO A 48 9.747 7.458 4.604 1.00 0.00 C ATOM 717 CG PRO A 48 10.192 6.988 3.249 1.00 0.00 C ATOM 718 CD PRO A 48 9.415 7.785 2.250 1.00 0.00 C ATOM 0 HA PRO A 48 7.568 7.632 4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.458 8.170 5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.681 6.625 5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.263 7.139 3.118 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.003 5.921 3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.923 8.713 1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.259 7.234 1.323 1.00 0.00 H new ATOM 726 N GLU A 49 7.521 9.938 5.749 1.00 0.00 N ATOM 727 CA GLU A 49 7.465 11.280 6.297 1.00 0.00 C ATOM 728 C GLU A 49 6.818 11.192 7.655 1.00 0.00 C ATOM 729 O GLU A 49 5.779 10.567 7.797 1.00 0.00 O ATOM 730 CB GLU A 49 6.668 12.231 5.381 1.00 0.00 C ATOM 731 CG GLU A 49 6.605 13.670 5.889 1.00 0.00 C ATOM 732 CD GLU A 49 5.828 14.593 4.985 1.00 0.00 C ATOM 733 OE1 GLU A 49 6.407 15.101 3.996 1.00 0.00 O ATOM 734 OE2 GLU A 49 4.644 14.867 5.256 1.00 0.00 O ATOM 0 H GLU A 49 6.817 9.305 6.130 1.00 0.00 H new ATOM 0 HA GLU A 49 8.473 11.687 6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.118 12.226 4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.653 11.849 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.151 13.678 6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.620 14.052 6.000 1.00 0.00 H new ATOM 741 N ASN A 50 7.426 11.788 8.638 1.00 0.00 N ATOM 742 CA ASN A 50 6.920 11.709 9.986 1.00 0.00 C ATOM 743 C ASN A 50 6.559 13.087 10.472 1.00 0.00 C ATOM 744 O ASN A 50 7.428 13.953 10.595 1.00 0.00 O ATOM 745 CB ASN A 50 7.956 11.053 10.915 1.00 0.00 C ATOM 746 CG ASN A 50 7.504 10.955 12.368 1.00 0.00 C ATOM 747 OD1 ASN A 50 7.740 11.863 13.174 1.00 0.00 O ATOM 748 ND2 ASN A 50 6.894 9.852 12.727 1.00 0.00 N ATOM 0 H ASN A 50 8.278 12.339 8.535 1.00 0.00 H new ATOM 0 HA ASN A 50 6.024 11.088 9.995 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.180 10.052 10.545 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.883 11.624 10.870 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.599 9.724 13.695 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.714 9.122 12.038 1.00 0.00 H new ATOM 755 N ALA A 51 5.293 13.295 10.721 1.00 0.00 N ATOM 756 CA ALA A 51 4.784 14.575 11.177 1.00 0.00 C ATOM 757 C ALA A 51 3.504 14.355 11.948 1.00 0.00 C ATOM 758 O ALA A 51 3.034 13.215 12.050 1.00 0.00 O ATOM 759 CB ALA A 51 4.556 15.512 10.007 1.00 0.00 C ATOM 0 H ALA A 51 4.575 12.579 10.614 1.00 0.00 H new ATOM 0 HA ALA A 51 5.520 15.041 11.832 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.174 16.465 10.373 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.498 15.675 9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.832 15.070 9.323 1.00 0.00 H new ATOM 765 N THR A 52 2.926 15.408 12.463 1.00 0.00 N ATOM 766 CA THR A 52 1.758 15.290 13.274 1.00 0.00 C ATOM 767 C THR A 52 0.497 15.690 12.488 1.00 0.00 C ATOM 768 O THR A 52 0.470 16.713 11.814 1.00 0.00 O ATOM 769 CB THR A 52 1.904 16.191 14.516 1.00 0.00 C ATOM 770 OG1 THR A 52 3.161 15.900 15.181 1.00 0.00 O ATOM 771 CG2 THR A 52 0.763 15.962 15.490 1.00 0.00 C ATOM 0 H THR A 52 3.255 16.364 12.329 1.00 0.00 H new ATOM 0 HA THR A 52 1.653 14.249 13.581 1.00 0.00 H new ATOM 0 HB THR A 52 1.882 17.231 14.189 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.254 16.474 15.970 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.890 16.610 16.358 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.184 16.191 15.001 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.763 14.921 15.812 1.00 0.00 H new ATOM 779 N PHE A 53 -0.504 14.862 12.549 1.00 0.00 N ATOM 780 CA PHE A 53 -1.789 15.156 11.988 1.00 0.00 C ATOM 781 C PHE A 53 -2.743 15.438 13.128 1.00 0.00 C ATOM 782 O PHE A 53 -2.924 14.603 14.029 1.00 0.00 O ATOM 783 CB PHE A 53 -2.306 13.996 11.127 1.00 0.00 C ATOM 784 CG PHE A 53 -3.712 14.197 10.619 1.00 0.00 C ATOM 785 CD1 PHE A 53 -3.975 15.112 9.615 1.00 0.00 C ATOM 786 CD2 PHE A 53 -4.770 13.470 11.154 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.262 15.300 9.154 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.057 13.654 10.696 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.305 14.570 9.696 1.00 0.00 C ATOM 0 H PHE A 53 -0.449 13.948 12.998 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.710 16.024 11.334 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.638 13.861 10.277 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.268 13.077 11.711 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.165 15.685 9.188 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.581 12.752 11.938 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.455 16.017 8.370 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.869 13.082 11.120 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.312 14.718 9.336 1.00 0.00 H new ATOM 799 N VAL A 54 -3.317 16.592 13.113 1.00 0.00 N ATOM 800 CA VAL A 54 -4.216 17.003 14.148 1.00 0.00 C ATOM 801 C VAL A 54 -5.646 16.977 13.625 1.00 0.00 C ATOM 802 O VAL A 54 -6.039 17.837 12.822 1.00 0.00 O ATOM 803 CB VAL A 54 -3.876 18.439 14.654 1.00 0.00 C ATOM 804 CG1 VAL A 54 -4.757 18.839 15.829 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.403 18.557 15.026 1.00 0.00 C ATOM 0 H VAL A 54 -3.178 17.286 12.378 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.111 16.310 14.983 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.078 19.127 13.833 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.493 19.845 16.156 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.803 18.820 15.523 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.607 18.139 16.651 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.196 19.569 15.375 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.169 17.845 15.818 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.789 18.342 14.152 1.00 0.00 H new ATOM 815 N ASN A 55 -6.389 15.947 13.990 1.00 0.00 N ATOM 816 CA ASN A 55 -7.809 15.894 13.662 1.00 0.00 C ATOM 817 C ASN A 55 -8.538 16.814 14.639 1.00 0.00 C ATOM 818 O ASN A 55 -8.069 16.995 15.772 1.00 0.00 O ATOM 819 CB ASN A 55 -8.365 14.460 13.754 1.00 0.00 C ATOM 820 CG ASN A 55 -9.817 14.382 13.300 1.00 0.00 C ATOM 821 OD1 ASN A 55 -10.252 15.153 12.457 1.00 0.00 O ATOM 822 ND2 ASN A 55 -10.575 13.481 13.859 1.00 0.00 N ATOM 0 H ASN A 55 -6.040 15.141 14.509 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.960 16.219 12.633 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.757 13.795 13.141 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.287 14.106 14.782 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.558 13.406 13.596 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.186 12.850 14.560 1.00 0.00 H new ATOM 829 N GLY A 56 -9.653 17.380 14.254 1.00 0.00 N ATOM 830 CA GLY A 56 -10.301 18.309 15.133 1.00 0.00 C ATOM 831 C GLY A 56 -11.810 18.248 15.147 1.00 0.00 C ATOM 832 O GLY A 56 -12.395 17.758 16.105 1.00 0.00 O ATOM 0 H GLY A 56 -10.119 17.218 13.361 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.939 18.137 16.146 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.998 19.318 14.854 1.00 0.00 H new ATOM 836 N ASN A 57 -12.430 18.703 14.088 1.00 0.00 N ATOM 837 CA ASN A 57 -13.882 18.919 14.061 1.00 0.00 C ATOM 838 C ASN A 57 -14.748 17.664 14.024 1.00 0.00 C ATOM 839 O ASN A 57 -15.789 17.615 14.692 1.00 0.00 O ATOM 840 CB ASN A 57 -14.299 19.948 12.984 1.00 0.00 C ATOM 841 CG ASN A 57 -13.815 19.643 11.566 1.00 0.00 C ATOM 842 OD1 ASN A 57 -13.688 18.491 11.147 1.00 0.00 O ATOM 843 ND2 ASN A 57 -13.508 20.680 10.835 1.00 0.00 N ATOM 0 H ASN A 57 -11.958 18.938 13.215 1.00 0.00 H new ATOM 0 HA ASN A 57 -14.094 19.345 15.042 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.387 20.016 12.972 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.922 20.928 13.276 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.152 20.549 9.888 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.624 21.621 11.211 1.00 0.00 H new ATOM 850 N GLN A 58 -14.341 16.663 13.309 1.00 0.00 N ATOM 851 CA GLN A 58 -15.153 15.470 13.185 1.00 0.00 C ATOM 852 C GLN A 58 -14.321 14.201 13.262 1.00 0.00 C ATOM 853 O GLN A 58 -13.109 14.262 13.130 1.00 0.00 O ATOM 854 CB GLN A 58 -16.077 15.515 11.920 1.00 0.00 C ATOM 855 CG GLN A 58 -15.450 15.957 10.588 1.00 0.00 C ATOM 856 CD GLN A 58 -14.232 15.166 10.150 1.00 0.00 C ATOM 857 OE1 GLN A 58 -14.354 14.135 9.494 1.00 0.00 O ATOM 858 NE2 GLN A 58 -13.064 15.693 10.416 1.00 0.00 N ATOM 0 H GLN A 58 -13.457 16.637 12.800 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.819 15.448 14.047 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.498 14.520 11.778 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.909 16.185 12.137 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -16.208 15.887 9.808 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.171 17.008 10.668 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.005 16.551 10.964 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.213 15.246 10.075 1.00 0.00 H new ATOM 867 N PRO A 59 -14.936 13.041 13.541 1.00 0.00 N ATOM 868 CA PRO A 59 -14.227 11.789 13.538 1.00 0.00 C ATOM 869 C PRO A 59 -14.028 11.321 12.109 1.00 0.00 C ATOM 870 O PRO A 59 -14.839 11.634 11.225 1.00 0.00 O ATOM 871 CB PRO A 59 -15.149 10.817 14.293 1.00 0.00 C ATOM 872 CG PRO A 59 -16.344 11.615 14.707 1.00 0.00 C ATOM 873 CD PRO A 59 -16.353 12.855 13.876 1.00 0.00 C ATOM 0 HA PRO A 59 -13.242 11.861 13.998 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.440 9.982 13.656 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.643 10.395 15.161 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.260 11.044 14.556 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.294 11.862 15.767 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -16.966 12.737 12.983 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.752 13.707 14.427 1.00 0.00 H new ATOM 881 N ILE A 60 -12.987 10.597 11.873 1.00 0.00 N ATOM 882 CA ILE A 60 -12.691 10.133 10.546 1.00 0.00 C ATOM 883 C ILE A 60 -12.547 8.624 10.579 1.00 0.00 C ATOM 884 O ILE A 60 -11.801 8.091 11.401 1.00 0.00 O ATOM 885 CB ILE A 60 -11.367 10.765 10.004 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.431 12.306 10.051 1.00 0.00 C ATOM 887 CG2 ILE A 60 -11.103 10.296 8.576 1.00 0.00 C ATOM 888 CD1 ILE A 60 -10.162 13.003 9.587 1.00 0.00 C ATOM 0 H ILE A 60 -12.316 10.307 12.585 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.504 10.430 9.884 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.548 10.436 10.644 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.262 12.642 9.431 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.649 12.617 11.073 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.178 10.743 8.211 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.011 9.210 8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -11.931 10.599 7.935 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.295 14.083 9.653 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.328 12.701 10.221 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.952 12.726 8.554 1.00 0.00 H new ATOM 900 N VAL A 61 -13.277 7.926 9.747 1.00 0.00 N ATOM 901 CA VAL A 61 -13.114 6.502 9.685 1.00 0.00 C ATOM 902 C VAL A 61 -11.914 6.161 8.788 1.00 0.00 C ATOM 903 O VAL A 61 -11.863 6.502 7.600 1.00 0.00 O ATOM 904 CB VAL A 61 -14.417 5.733 9.274 1.00 0.00 C ATOM 905 CG1 VAL A 61 -14.897 6.074 7.872 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.238 4.231 9.454 1.00 0.00 C ATOM 0 H VAL A 61 -13.977 8.314 9.115 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.908 6.149 10.696 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.204 6.070 9.948 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.802 5.508 7.650 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.112 7.141 7.810 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -14.122 5.817 7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.155 3.718 9.163 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.414 3.885 8.829 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.017 4.014 10.499 1.00 0.00 H new ATOM 916 N THR A 62 -10.947 5.546 9.377 1.00 0.00 N ATOM 917 CA THR A 62 -9.726 5.226 8.716 1.00 0.00 C ATOM 918 C THR A 62 -9.811 3.834 8.087 1.00 0.00 C ATOM 919 O THR A 62 -10.813 3.115 8.269 1.00 0.00 O ATOM 920 CB THR A 62 -8.531 5.323 9.705 1.00 0.00 C ATOM 921 OG1 THR A 62 -8.723 4.431 10.806 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.397 6.736 10.250 1.00 0.00 C ATOM 0 H THR A 62 -10.982 5.245 10.351 1.00 0.00 H new ATOM 0 HA THR A 62 -9.559 5.948 7.917 1.00 0.00 H new ATOM 0 HB THR A 62 -7.627 5.053 9.159 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.490 4.728 11.338 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.555 6.781 10.940 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.229 7.429 9.426 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.311 7.012 10.775 1.00 0.00 H new ATOM 930 N ARG A 63 -8.805 3.468 7.340 1.00 0.00 N ATOM 931 CA ARG A 63 -8.778 2.196 6.677 1.00 0.00 C ATOM 932 C ARG A 63 -7.723 1.311 7.290 1.00 0.00 C ATOM 933 O ARG A 63 -6.654 1.781 7.716 1.00 0.00 O ATOM 934 CB ARG A 63 -8.519 2.353 5.191 1.00 0.00 C ATOM 935 CG ARG A 63 -9.527 3.220 4.459 1.00 0.00 C ATOM 936 CD ARG A 63 -10.954 2.739 4.613 1.00 0.00 C ATOM 937 NE ARG A 63 -11.834 3.426 3.662 1.00 0.00 N ATOM 938 CZ ARG A 63 -12.591 4.497 3.916 1.00 0.00 C ATOM 939 NH1 ARG A 63 -12.597 5.064 5.126 1.00 0.00 N ATOM 940 NH2 ARG A 63 -13.333 5.007 2.942 1.00 0.00 N ATOM 0 H ARG A 63 -7.981 4.045 7.175 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.757 1.733 6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.525 2.779 5.052 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.509 1.365 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.454 4.242 4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.272 3.246 3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.001 1.663 4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.297 2.921 5.631 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.872 3.050 2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.018 4.679 5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.181 5.881 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.320 4.582 2.015 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.916 5.825 3.120 1.00 0.00 H new ATOM 954 N ILE A 64 -8.012 0.048 7.321 1.00 0.00 N ATOM 955 CA ILE A 64 -7.159 -0.926 7.941 1.00 0.00 C ATOM 956 C ILE A 64 -6.206 -1.601 6.943 1.00 0.00 C ATOM 957 O ILE A 64 -6.637 -2.307 6.020 1.00 0.00 O ATOM 958 CB ILE A 64 -8.009 -1.985 8.694 1.00 0.00 C ATOM 959 CG1 ILE A 64 -8.764 -1.322 9.863 1.00 0.00 C ATOM 960 CG2 ILE A 64 -7.156 -3.158 9.169 1.00 0.00 C ATOM 961 CD1 ILE A 64 -9.681 -2.255 10.629 1.00 0.00 C ATOM 0 H ILE A 64 -8.859 -0.345 6.911 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.533 -0.394 8.657 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.742 -2.394 7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.036 -0.899 10.555 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.354 -0.492 9.474 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.786 -3.878 9.691 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.690 -3.640 8.310 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.382 -2.795 9.846 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.171 -1.705 11.433 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.435 -2.659 9.954 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.097 -3.072 11.052 1.00 0.00 H new ATOM 973 N GLY A 65 -4.927 -1.310 7.112 1.00 0.00 N ATOM 974 CA GLY A 65 -3.834 -1.972 6.408 1.00 0.00 C ATOM 975 C GLY A 65 -3.641 -1.610 4.946 1.00 0.00 C ATOM 976 O GLY A 65 -2.533 -1.743 4.419 1.00 0.00 O ATOM 0 H GLY A 65 -4.609 -0.588 7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.907 -1.752 6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.991 -3.049 6.473 1.00 0.00 H new ATOM 980 N SER A 66 -4.657 -1.133 4.289 1.00 0.00 N ATOM 981 CA SER A 66 -4.548 -0.858 2.880 1.00 0.00 C ATOM 982 C SER A 66 -5.199 0.469 2.528 1.00 0.00 C ATOM 983 O SER A 66 -6.270 0.783 3.044 1.00 0.00 O ATOM 984 CB SER A 66 -5.229 -1.976 2.100 1.00 0.00 C ATOM 985 OG SER A 66 -4.727 -3.242 2.492 1.00 0.00 O ATOM 0 H SER A 66 -5.567 -0.926 4.700 1.00 0.00 H new ATOM 0 HA SER A 66 -3.491 -0.801 2.619 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.305 -1.939 2.268 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.068 -1.831 1.032 1.00 0.00 H new ATOM 0 HG SER A 66 -3.974 -3.488 1.915 1.00 0.00 H new ATOM 991 N PRO A 67 -4.548 1.294 1.697 1.00 0.00 N ATOM 992 CA PRO A 67 -5.147 2.506 1.206 1.00 0.00 C ATOM 993 C PRO A 67 -5.911 2.266 -0.112 1.00 0.00 C ATOM 994 O PRO A 67 -5.336 1.873 -1.127 1.00 0.00 O ATOM 995 CB PRO A 67 -3.943 3.439 0.976 1.00 0.00 C ATOM 996 CG PRO A 67 -2.713 2.566 1.056 1.00 0.00 C ATOM 997 CD PRO A 67 -3.179 1.140 1.205 1.00 0.00 C ATOM 0 HA PRO A 67 -5.882 2.916 1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.010 3.929 0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.911 4.227 1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.104 2.679 0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.091 2.857 1.903 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.148 0.604 0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.558 0.583 1.906 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.179 2.551 -0.071 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.135 2.443 -1.162 1.00 0.00 C ATOM 1007 C PHE A 68 -9.310 3.220 -0.684 1.00 0.00 C ATOM 1008 O PHE A 68 -9.434 3.444 0.527 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.652 0.991 -1.446 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.661 -0.034 -1.906 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -7.215 -0.038 -3.213 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -7.212 -1.022 -1.043 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -6.338 -1.002 -3.652 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -6.330 -1.984 -1.477 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.894 -1.976 -2.785 1.00 0.00 C ATOM 0 H PHE A 68 -7.616 2.892 0.785 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.658 2.784 -2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.118 0.619 -0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.437 1.058 -2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.558 0.724 -3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.558 -1.036 -0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.997 -0.995 -4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.980 -2.744 -0.795 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.205 -2.733 -3.130 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.166 3.600 -1.560 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.354 4.323 -1.185 1.00 0.00 C ATOM 1027 C LEU A 69 -12.320 3.365 -0.503 1.00 0.00 C ATOM 1028 O LEU A 69 -12.922 3.684 0.527 1.00 0.00 O ATOM 1029 CB LEU A 69 -11.999 4.940 -2.423 1.00 0.00 C ATOM 1030 CG LEU A 69 -11.088 5.824 -3.280 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -11.843 6.365 -4.478 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -10.487 6.956 -2.451 1.00 0.00 C ATOM 0 H LEU A 69 -10.075 3.425 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.097 5.127 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.384 4.135 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.856 5.534 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.265 5.211 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.179 6.991 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.203 5.535 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.691 6.959 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.844 7.569 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.288 7.572 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.899 6.537 -1.635 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.395 2.165 -1.042 1.00 0.00 N ATOM 1045 CA ASN A 70 -13.293 1.120 -0.546 1.00 0.00 C ATOM 1046 C ASN A 70 -12.558 0.157 0.385 1.00 0.00 C ATOM 1047 O ASN A 70 -13.051 -0.929 0.657 1.00 0.00 O ATOM 1048 CB ASN A 70 -13.896 0.334 -1.730 1.00 0.00 C ATOM 1049 CG ASN A 70 -12.855 -0.444 -2.539 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -12.245 0.090 -3.465 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -12.662 -1.699 -2.211 1.00 0.00 N ATOM 0 H ASN A 70 -11.834 1.877 -1.843 1.00 0.00 H new ATOM 0 HA ASN A 70 -14.091 1.603 0.017 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.644 -0.362 -1.351 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -14.414 1.029 -2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.989 -2.264 -2.729 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.185 -2.110 -1.438 1.00 0.00 H new ATOM 1058 N ALA A 71 -11.399 0.573 0.886 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.566 -0.257 1.785 1.00 0.00 C ATOM 1060 C ALA A 71 -11.322 -0.622 3.090 1.00 0.00 C ATOM 1061 O ALA A 71 -12.317 0.034 3.424 1.00 0.00 O ATOM 1062 CB ALA A 71 -9.282 0.486 2.119 1.00 0.00 C ATOM 0 H ALA A 71 -11.001 1.491 0.688 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.331 -1.187 1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.669 -0.126 2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.731 0.691 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.524 1.426 2.615 1.00 0.00 H new ATOM 1068 N PRO A 72 -10.862 -1.669 3.838 1.00 0.00 N ATOM 1069 CA PRO A 72 -11.520 -2.118 5.083 1.00 0.00 C ATOM 1070 C PRO A 72 -11.641 -1.009 6.136 1.00 0.00 C ATOM 1071 O PRO A 72 -10.666 -0.310 6.453 1.00 0.00 O ATOM 1072 CB PRO A 72 -10.603 -3.237 5.595 1.00 0.00 C ATOM 1073 CG PRO A 72 -9.886 -3.718 4.387 1.00 0.00 C ATOM 1074 CD PRO A 72 -9.676 -2.508 3.535 1.00 0.00 C ATOM 0 HA PRO A 72 -12.546 -2.435 4.894 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.907 -2.866 6.347 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.177 -4.038 6.060 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.935 -4.179 4.653 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.470 -4.472 3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.747 -1.996 3.785 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.624 -2.765 2.477 1.00 0.00 H new ATOM 1082 N VAL A 73 -12.832 -0.869 6.660 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.179 0.121 7.666 1.00 0.00 C ATOM 1084 C VAL A 73 -13.273 -0.516 9.043 1.00 0.00 C ATOM 1085 O VAL A 73 -13.132 -1.736 9.181 1.00 0.00 O ATOM 1086 CB VAL A 73 -14.495 0.887 7.343 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -14.320 1.757 6.116 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -15.661 -0.074 7.153 1.00 0.00 C ATOM 0 H VAL A 73 -13.620 -1.459 6.393 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.373 0.854 7.659 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.723 1.529 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.251 2.284 5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.525 2.482 6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.057 1.133 5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -16.566 0.491 6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -15.443 -0.752 6.328 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.810 -0.650 8.066 1.00 0.00 H new ATOM 1098 N GLY A 74 -13.496 0.297 10.045 1.00 0.00 N ATOM 1099 CA GLY A 74 -13.577 -0.190 11.404 1.00 0.00 C ATOM 1100 C GLY A 74 -12.549 0.448 12.298 1.00 0.00 C ATOM 1101 O GLY A 74 -12.439 0.112 13.475 1.00 0.00 O ATOM 0 H GLY A 74 -13.626 1.304 9.947 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.573 0.007 11.800 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.440 -1.271 11.410 1.00 0.00 H new ATOM 1105 N GLY A 75 -11.810 1.378 11.751 1.00 0.00 N ATOM 1106 CA GLY A 75 -10.895 2.147 12.544 1.00 0.00 C ATOM 1107 C GLY A 75 -11.392 3.570 12.660 1.00 0.00 C ATOM 1108 O GLY A 75 -11.169 4.378 11.770 1.00 0.00 O ATOM 0 H GLY A 75 -11.826 1.619 10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.797 1.704 13.535 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.905 2.134 12.089 1.00 0.00 H new ATOM 1112 N ASN A 76 -12.104 3.873 13.700 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.626 5.220 13.871 1.00 0.00 C ATOM 1114 C ASN A 76 -11.613 6.094 14.575 1.00 0.00 C ATOM 1115 O ASN A 76 -11.158 5.767 15.675 1.00 0.00 O ATOM 1116 CB ASN A 76 -13.944 5.211 14.656 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.588 6.592 14.755 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -15.358 6.994 13.873 1.00 0.00 O ATOM 1119 ND2 ASN A 76 -14.311 7.306 15.817 1.00 0.00 N ATOM 0 H ASN A 76 -12.344 3.221 14.447 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.822 5.628 12.879 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.642 4.524 14.177 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.760 4.829 15.660 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.735 8.226 15.938 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.672 6.942 16.524 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.239 7.170 13.940 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.344 8.127 14.524 1.00 0.00 C ATOM 1128 C LEU A 77 -11.197 9.243 15.118 1.00 0.00 C ATOM 1129 O LEU A 77 -11.878 9.952 14.376 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.405 8.696 13.450 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.324 9.654 13.937 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.342 8.925 14.837 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.605 10.298 12.760 1.00 0.00 C ATOM 0 H LEU A 77 -11.549 7.408 12.998 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.730 7.660 15.294 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.920 7.862 12.943 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.010 9.213 12.705 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.798 10.447 14.515 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.575 9.621 15.178 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.871 8.518 15.698 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.874 8.112 14.282 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.838 10.978 13.130 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.140 9.524 12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.322 10.854 12.156 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.208 9.393 16.450 1.00 0.00 N ATOM 1146 CA PRO A 78 -12.047 10.385 17.125 1.00 0.00 C ATOM 1147 C PRO A 78 -11.646 11.830 16.816 1.00 0.00 C ATOM 1148 O PRO A 78 -10.512 12.115 16.371 1.00 0.00 O ATOM 1149 CB PRO A 78 -11.867 10.075 18.616 1.00 0.00 C ATOM 1150 CG PRO A 78 -10.573 9.348 18.707 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.403 8.609 17.410 1.00 0.00 C ATOM 0 HA PRO A 78 -13.082 10.315 16.789 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.848 10.989 19.209 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.689 9.467 18.994 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.749 10.043 18.868 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.576 8.656 19.549 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.356 8.563 17.110 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.759 7.581 17.485 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.571 12.730 17.039 1.00 0.00 N ATOM 1160 CA ALA A 79 -12.364 14.136 16.806 1.00 0.00 C ATOM 1161 C ALA A 79 -11.435 14.704 17.865 1.00 0.00 C ATOM 1162 O ALA A 79 -11.673 14.548 19.063 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.697 14.865 16.813 1.00 0.00 C ATOM 0 H ALA A 79 -13.501 12.503 17.392 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.901 14.275 15.829 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.531 15.928 16.636 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.336 14.462 16.028 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -14.181 14.729 17.780 1.00 0.00 H new ATOM 1169 N GLY A 80 -10.370 15.321 17.428 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.424 15.894 18.352 1.00 0.00 C ATOM 1171 C GLY A 80 -8.202 15.020 18.534 1.00 0.00 C ATOM 1172 O GLY A 80 -7.295 15.366 19.286 1.00 0.00 O ATOM 0 H GLY A 80 -10.135 15.440 16.443 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.116 16.876 17.992 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.907 16.045 19.317 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.176 13.890 17.856 1.00 0.00 N ATOM 1177 CA ALA A 81 -7.061 12.974 17.958 1.00 0.00 C ATOM 1178 C ALA A 81 -5.816 13.543 17.289 1.00 0.00 C ATOM 1179 O ALA A 81 -5.847 13.965 16.126 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.417 11.629 17.362 1.00 0.00 C ATOM 0 H ALA A 81 -8.918 13.585 17.226 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.840 12.836 19.016 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.565 10.955 17.449 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.268 11.208 17.897 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.675 11.754 16.310 1.00 0.00 H new ATOM 1186 N THR A 82 -4.748 13.576 18.033 1.00 0.00 N ATOM 1187 CA THR A 82 -3.479 14.044 17.557 1.00 0.00 C ATOM 1188 C THR A 82 -2.635 12.814 17.196 1.00 0.00 C ATOM 1189 O THR A 82 -2.225 12.050 18.083 1.00 0.00 O ATOM 1190 CB THR A 82 -2.805 14.846 18.681 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.773 15.778 19.213 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.610 15.618 18.161 1.00 0.00 C ATOM 0 H THR A 82 -4.735 13.272 19.007 1.00 0.00 H new ATOM 0 HA THR A 82 -3.588 14.684 16.682 1.00 0.00 H new ATOM 0 HB THR A 82 -2.457 14.157 19.451 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.363 16.300 19.934 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.153 16.176 18.979 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.881 14.923 17.744 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.934 16.312 17.385 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.421 12.593 15.921 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.761 11.380 15.464 1.00 0.00 C ATOM 1202 C ILE A 83 -0.473 11.697 14.724 1.00 0.00 C ATOM 1203 O ILE A 83 -0.459 12.516 13.820 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.698 10.562 14.518 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -4.016 10.195 15.218 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -2.008 9.306 13.993 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.858 9.352 16.474 1.00 0.00 C ATOM 0 H ILE A 83 -2.692 13.234 15.176 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.527 10.789 16.350 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.929 11.202 13.666 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.541 11.114 15.478 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.648 9.656 14.512 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.690 8.763 13.339 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.116 9.588 13.434 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.725 8.669 14.831 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.840 9.143 16.898 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.364 8.413 16.222 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.256 9.895 17.203 1.00 0.00 H new ATOM 1219 N VAL A 84 0.597 11.066 15.116 1.00 0.00 N ATOM 1220 CA VAL A 84 1.837 11.195 14.396 1.00 0.00 C ATOM 1221 C VAL A 84 1.868 10.129 13.282 1.00 0.00 C ATOM 1222 O VAL A 84 1.561 8.948 13.530 1.00 0.00 O ATOM 1223 CB VAL A 84 3.082 11.088 15.347 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.138 9.754 16.089 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.378 11.346 14.590 1.00 0.00 C ATOM 0 H VAL A 84 0.638 10.455 15.932 1.00 0.00 H new ATOM 0 HA VAL A 84 1.894 12.187 13.948 1.00 0.00 H new ATOM 0 HB VAL A 84 2.966 11.866 16.102 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.018 9.732 16.732 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.241 9.638 16.697 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.196 8.939 15.368 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.222 11.265 15.275 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.486 10.611 13.793 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.355 12.347 14.160 1.00 0.00 H new ATOM 1235 N TYR A 85 2.151 10.546 12.063 1.00 0.00 N ATOM 1236 CA TYR A 85 2.172 9.622 10.944 1.00 0.00 C ATOM 1237 C TYR A 85 3.592 9.282 10.531 1.00 0.00 C ATOM 1238 O TYR A 85 4.518 10.036 10.816 1.00 0.00 O ATOM 1239 CB TYR A 85 1.321 10.110 9.744 1.00 0.00 C ATOM 1240 CG TYR A 85 1.723 11.439 9.095 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.827 11.520 8.261 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.973 12.595 9.292 1.00 0.00 C ATOM 1243 CE1 TYR A 85 3.180 12.702 7.646 1.00 0.00 C ATOM 1244 CE2 TYR A 85 1.318 13.787 8.668 1.00 0.00 C ATOM 1245 CZ TYR A 85 2.427 13.828 7.842 1.00 0.00 C ATOM 1246 OH TYR A 85 2.791 15.014 7.216 1.00 0.00 O ATOM 0 H TYR A 85 2.369 11.513 11.822 1.00 0.00 H new ATOM 0 HA TYR A 85 1.701 8.702 11.292 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.346 9.337 8.975 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.286 10.195 10.076 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.424 10.637 8.089 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.110 12.565 9.940 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.051 12.740 7.009 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.725 14.675 8.827 1.00 0.00 H new ATOM 0 HH TYR A 85 3.439 14.824 6.506 1.00 0.00 H new ATOM 1256 N ASP A 86 3.744 8.153 9.863 1.00 0.00 N ATOM 1257 CA ASP A 86 5.054 7.633 9.444 1.00 0.00 C ATOM 1258 C ASP A 86 5.184 7.605 7.927 1.00 0.00 C ATOM 1259 O ASP A 86 6.295 7.665 7.364 1.00 0.00 O ATOM 1260 CB ASP A 86 5.210 6.195 9.980 1.00 0.00 C ATOM 1261 CG ASP A 86 6.466 5.489 9.496 1.00 0.00 C ATOM 1262 OD1 ASP A 86 7.562 5.769 10.031 1.00 0.00 O ATOM 1263 OD2 ASP A 86 6.378 4.635 8.567 1.00 0.00 O ATOM 0 H ASP A 86 2.962 7.559 9.589 1.00 0.00 H new ATOM 0 HA ASP A 86 5.828 8.289 9.844 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.218 6.223 11.070 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.339 5.611 9.683 1.00 0.00 H new ATOM 1268 N GLU A 87 4.069 7.560 7.271 1.00 0.00 N ATOM 1269 CA GLU A 87 4.032 7.331 5.863 1.00 0.00 C ATOM 1270 C GLU A 87 2.951 8.190 5.227 1.00 0.00 C ATOM 1271 O GLU A 87 1.875 8.353 5.794 1.00 0.00 O ATOM 1272 CB GLU A 87 3.748 5.838 5.704 1.00 0.00 C ATOM 1273 CG GLU A 87 3.606 5.282 4.313 1.00 0.00 C ATOM 1274 CD GLU A 87 3.475 3.775 4.371 1.00 0.00 C ATOM 1275 OE1 GLU A 87 2.623 3.260 5.140 1.00 0.00 O ATOM 1276 OE2 GLU A 87 4.236 3.072 3.690 1.00 0.00 O ATOM 0 H GLU A 87 3.152 7.682 7.701 1.00 0.00 H new ATOM 0 HA GLU A 87 4.964 7.600 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.551 5.292 6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.829 5.615 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.731 5.713 3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.472 5.558 3.712 1.00 0.00 H new ATOM 1283 N VAL A 88 3.263 8.776 4.102 1.00 0.00 N ATOM 1284 CA VAL A 88 2.314 9.575 3.344 1.00 0.00 C ATOM 1285 C VAL A 88 2.055 8.851 2.050 1.00 0.00 C ATOM 1286 O VAL A 88 2.991 8.387 1.417 1.00 0.00 O ATOM 1287 CB VAL A 88 2.859 11.002 3.050 1.00 0.00 C ATOM 1288 CG1 VAL A 88 1.868 11.812 2.228 1.00 0.00 C ATOM 1289 CG2 VAL A 88 3.161 11.724 4.340 1.00 0.00 C ATOM 0 H VAL A 88 4.188 8.717 3.675 1.00 0.00 H new ATOM 0 HA VAL A 88 1.400 9.700 3.924 1.00 0.00 H new ATOM 0 HB VAL A 88 3.778 10.895 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.277 12.804 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.685 11.308 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.931 11.905 2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.542 12.721 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.250 11.807 4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.910 11.166 4.902 1.00 0.00 H new ATOM 1299 N CYS A 89 0.817 8.716 1.681 1.00 0.00 N ATOM 1300 CA CYS A 89 0.449 7.972 0.506 1.00 0.00 C ATOM 1301 C CYS A 89 -0.531 8.759 -0.363 1.00 0.00 C ATOM 1302 O CYS A 89 -1.240 9.623 0.128 1.00 0.00 O ATOM 1303 CB CYS A 89 -0.208 6.665 0.941 1.00 0.00 C ATOM 1304 SG CYS A 89 0.771 5.672 2.079 1.00 0.00 S ATOM 0 H CYS A 89 0.028 9.119 2.186 1.00 0.00 H new ATOM 0 HA CYS A 89 1.347 7.779 -0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.165 6.894 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.423 6.070 0.054 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.009 5.139 2.972 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.536 8.477 -1.646 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.505 9.044 -2.569 1.00 0.00 C ATOM 1312 C ILE A 90 -2.277 7.918 -3.266 1.00 0.00 C ATOM 1313 O ILE A 90 -1.683 7.050 -3.936 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.875 10.003 -3.648 1.00 0.00 C ATOM 1315 CG1 ILE A 90 -0.277 11.261 -2.987 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -1.918 10.402 -4.705 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.318 12.265 -3.971 1.00 0.00 C ATOM 0 H ILE A 90 0.134 7.845 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.176 9.658 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.071 9.460 -4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.055 11.757 -2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.499 10.955 -2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.458 11.064 -5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.289 9.508 -5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.748 10.917 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.716 13.119 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.120 11.790 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.457 12.604 -4.658 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.570 7.926 -3.069 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.490 6.999 -3.685 1.00 0.00 C ATOM 1331 C GLN A 91 -5.487 7.871 -4.437 1.00 0.00 C ATOM 1332 O GLN A 91 -5.756 8.970 -3.991 1.00 0.00 O ATOM 1333 CB GLN A 91 -5.160 6.093 -2.614 1.00 0.00 C ATOM 1334 CG GLN A 91 -6.144 5.054 -3.150 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.508 4.099 -4.158 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -5.473 4.386 -5.361 1.00 0.00 O ATOM 1337 NE2 GLN A 91 -5.043 2.959 -3.701 1.00 0.00 N ATOM 0 H GLN A 91 -4.029 8.599 -2.455 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.998 6.306 -4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.377 5.574 -2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.684 6.730 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.547 4.479 -2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.984 5.565 -3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.087 2.754 -2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.638 2.279 -4.344 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.988 7.414 -5.566 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.785 8.261 -6.478 1.00 0.00 C ATOM 1348 C ALA A 92 -7.926 9.040 -5.783 1.00 0.00 C ATOM 1349 O ALA A 92 -8.953 8.474 -5.379 1.00 0.00 O ATOM 1350 CB ALA A 92 -7.340 7.420 -7.622 1.00 0.00 C ATOM 0 H ALA A 92 -5.865 6.455 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.100 9.017 -6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.926 8.053 -8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.516 6.973 -8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.976 6.632 -7.219 1.00 0.00 H new ATOM 1356 N GLY A 93 -7.691 10.340 -5.608 1.00 0.00 N ATOM 1357 CA GLY A 93 -8.685 11.223 -5.065 1.00 0.00 C ATOM 1358 C GLY A 93 -8.386 11.696 -3.652 1.00 0.00 C ATOM 1359 O GLY A 93 -8.915 12.717 -3.210 1.00 0.00 O ATOM 0 H GLY A 93 -6.808 10.794 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.779 12.092 -5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.649 10.715 -5.071 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.535 10.995 -2.933 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.260 11.356 -1.542 1.00 0.00 C ATOM 1365 C HIS A 94 -5.827 11.093 -1.164 1.00 0.00 C ATOM 1366 O HIS A 94 -5.200 10.158 -1.659 1.00 0.00 O ATOM 1367 CB HIS A 94 -8.194 10.609 -0.560 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.619 11.079 -0.574 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.595 10.540 -1.389 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -10.233 12.053 0.130 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.728 11.158 -1.180 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.543 12.080 -0.269 1.00 0.00 N ATOM 0 H HIS A 94 -7.024 10.181 -3.275 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.450 12.427 -1.465 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.174 9.545 -0.798 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.799 10.718 0.450 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.454 9.778 -2.052 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.776 12.693 0.871 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.663 10.943 -1.677 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.310 11.913 -0.300 1.00 0.00 N ATOM 1382 CA ILE A 95 -4.001 11.695 0.231 1.00 0.00 C ATOM 1383 C ILE A 95 -4.210 10.900 1.512 1.00 0.00 C ATOM 1384 O ILE A 95 -5.223 11.070 2.175 1.00 0.00 O ATOM 1385 CB ILE A 95 -3.233 13.044 0.488 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.787 12.788 0.956 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.971 13.927 1.484 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.959 14.050 1.145 1.00 0.00 C ATOM 0 H ILE A 95 -5.780 12.746 0.054 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.372 11.152 -0.474 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.191 13.575 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.814 12.240 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.290 12.147 0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.411 14.850 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.962 14.164 1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.069 13.401 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.044 13.781 1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.898 14.590 0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.430 14.685 1.896 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.338 10.003 1.807 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.508 9.140 2.947 1.00 0.00 C ATOM 1402 C TRP A 96 -2.292 9.193 3.816 1.00 0.00 C ATOM 1403 O TRP A 96 -1.185 9.423 3.332 1.00 0.00 O ATOM 1404 CB TRP A 96 -3.752 7.688 2.490 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.006 7.495 1.697 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.202 7.803 0.391 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.225 6.939 2.158 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.485 7.502 0.019 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.132 6.961 1.085 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -6.638 6.431 3.375 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.428 6.495 1.199 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -7.917 5.968 3.491 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -8.805 6.001 2.409 1.00 0.00 C ATOM 0 H TRP A 96 -2.484 9.838 1.274 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.373 9.484 3.514 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -2.903 7.361 1.890 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.789 7.044 3.369 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.453 8.225 -0.262 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -6.888 7.658 -0.905 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -5.963 6.401 4.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.112 6.522 0.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.251 5.568 4.437 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -9.810 5.627 2.538 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.483 9.027 5.087 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.372 8.935 5.996 1.00 0.00 C ATOM 1426 C ILE A 97 -1.388 7.575 6.653 1.00 0.00 C ATOM 1427 O ILE A 97 -2.456 7.063 7.013 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.351 10.045 7.092 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.594 9.966 7.991 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.226 11.426 6.446 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.556 10.879 9.198 1.00 0.00 C ATOM 0 H ILE A 97 -3.401 8.951 5.525 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.469 9.082 5.403 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.480 9.881 7.726 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.474 10.209 7.395 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.715 8.938 8.333 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.213 12.191 7.222 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.301 11.476 5.871 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.075 11.596 5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.473 10.757 9.775 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.699 10.623 9.821 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.469 11.914 8.868 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.244 6.987 6.767 1.00 0.00 N ATOM 1444 CA GLY A 98 -0.126 5.708 7.375 1.00 0.00 C ATOM 1445 C GLY A 98 0.585 5.806 8.686 1.00 0.00 C ATOM 1446 O GLY A 98 1.634 6.471 8.792 1.00 0.00 O ATOM 0 H GLY A 98 0.637 7.383 6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.117 5.279 7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.416 5.034 6.712 1.00 0.00 H new ATOM 1450 N TYR A 99 0.024 5.201 9.687 1.00 0.00 N ATOM 1451 CA TYR A 99 0.631 5.185 10.986 1.00 0.00 C ATOM 1452 C TYR A 99 0.480 3.807 11.590 1.00 0.00 C ATOM 1453 O TYR A 99 -0.255 2.969 11.053 1.00 0.00 O ATOM 1454 CB TYR A 99 0.031 6.273 11.907 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.441 6.106 12.272 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.454 6.617 11.461 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -1.807 5.465 13.448 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -3.787 6.488 11.823 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.127 5.327 13.809 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.113 5.839 13.001 1.00 0.00 C ATOM 1461 OH TYR A 99 -5.436 5.710 13.380 1.00 0.00 O ATOM 0 H TYR A 99 -0.865 4.705 9.629 1.00 0.00 H new ATOM 0 HA TYR A 99 1.692 5.414 10.882 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.612 6.301 12.829 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.157 7.241 11.422 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.198 7.119 10.540 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.038 5.066 14.093 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.564 6.891 11.190 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.388 4.818 14.725 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.487 5.228 14.231 1.00 0.00 H new ATOM 1471 N ASN A 100 1.154 3.569 12.674 1.00 0.00 N ATOM 1472 CA ASN A 100 1.092 2.286 13.330 1.00 0.00 C ATOM 1473 C ASN A 100 0.264 2.438 14.596 1.00 0.00 C ATOM 1474 O ASN A 100 0.649 3.177 15.510 1.00 0.00 O ATOM 1475 CB ASN A 100 2.518 1.793 13.657 1.00 0.00 C ATOM 1476 CG ASN A 100 2.586 0.358 14.177 1.00 0.00 C ATOM 1477 OD1 ASN A 100 1.671 -0.148 14.802 1.00 0.00 O ATOM 1478 ND2 ASN A 100 3.682 -0.299 13.925 1.00 0.00 N ATOM 0 H ASN A 100 1.761 4.250 13.131 1.00 0.00 H new ATOM 0 HA ASN A 100 0.626 1.546 12.679 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.131 1.871 12.759 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.957 2.457 14.401 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.788 -1.259 14.253 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.434 0.146 13.400 1.00 0.00 H new ATOM 1485 N ALA A 101 -0.870 1.784 14.632 1.00 0.00 N ATOM 1486 CA ALA A 101 -1.765 1.860 15.771 1.00 0.00 C ATOM 1487 C ALA A 101 -1.206 1.032 16.909 1.00 0.00 C ATOM 1488 O ALA A 101 -0.383 0.160 16.676 1.00 0.00 O ATOM 1489 CB ALA A 101 -3.152 1.372 15.391 1.00 0.00 C ATOM 0 H ALA A 101 -1.203 1.184 13.877 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.847 2.899 16.091 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.810 1.436 16.257 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.549 1.993 14.587 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.094 0.337 15.055 1.00 0.00 H new ATOM 1495 N TYR A 102 -1.689 1.260 18.124 1.00 0.00 N ATOM 1496 CA TYR A 102 -1.180 0.563 19.328 1.00 0.00 C ATOM 1497 C TYR A 102 -1.282 -0.979 19.239 1.00 0.00 C ATOM 1498 O TYR A 102 -0.616 -1.696 19.970 1.00 0.00 O ATOM 1499 CB TYR A 102 -1.856 1.089 20.614 1.00 0.00 C ATOM 1500 CG TYR A 102 -3.364 0.887 20.701 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -3.910 -0.321 21.132 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -4.237 1.907 20.371 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -5.274 -0.495 21.224 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -5.601 1.737 20.459 1.00 0.00 C ATOM 1505 CZ TYR A 102 -6.113 0.542 20.882 1.00 0.00 C ATOM 1506 OH TYR A 102 -7.482 0.385 20.973 1.00 0.00 O ATOM 0 H TYR A 102 -2.438 1.925 18.316 1.00 0.00 H new ATOM 0 HA TYR A 102 -0.116 0.796 19.376 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.393 0.600 21.471 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.646 2.155 20.703 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.252 -1.135 21.399 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -3.842 2.855 20.038 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.681 -1.437 21.561 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.265 2.547 20.194 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.925 1.214 20.695 1.00 0.00 H new ATOM 1516 N ASN A 103 -2.106 -1.464 18.328 1.00 0.00 N ATOM 1517 CA ASN A 103 -2.289 -2.900 18.108 1.00 0.00 C ATOM 1518 C ASN A 103 -1.126 -3.474 17.264 1.00 0.00 C ATOM 1519 O ASN A 103 -0.902 -4.684 17.227 1.00 0.00 O ATOM 1520 CB ASN A 103 -3.636 -3.116 17.381 1.00 0.00 C ATOM 1521 CG ASN A 103 -3.980 -4.574 17.075 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -4.600 -5.259 17.883 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -3.644 -5.036 15.893 1.00 0.00 N ATOM 0 H ASN A 103 -2.672 -0.877 17.715 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.295 -3.420 19.066 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.433 -2.691 17.991 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.620 -2.558 16.445 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.898 -5.987 15.626 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.129 -4.444 15.242 1.00 0.00 H new ATOM 1530 N GLY A 104 -0.361 -2.593 16.637 1.00 0.00 N ATOM 1531 CA GLY A 104 0.693 -3.022 15.728 1.00 0.00 C ATOM 1532 C GLY A 104 0.164 -3.094 14.310 1.00 0.00 C ATOM 1533 O GLY A 104 0.736 -3.746 13.434 1.00 0.00 O ATOM 0 H GLY A 104 -0.449 -1.582 16.739 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.531 -2.326 15.777 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.071 -3.998 16.033 1.00 0.00 H new ATOM 1537 N ASN A 105 -0.958 -2.451 14.113 1.00 0.00 N ATOM 1538 CA ASN A 105 -1.649 -2.427 12.835 1.00 0.00 C ATOM 1539 C ASN A 105 -1.310 -1.153 12.062 1.00 0.00 C ATOM 1540 O ASN A 105 -1.181 -0.081 12.651 1.00 0.00 O ATOM 1541 CB ASN A 105 -3.156 -2.525 13.076 1.00 0.00 C ATOM 1542 CG ASN A 105 -3.997 -2.472 11.810 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -5.191 -1.959 11.946 1.00 0.00 O flip ATOM 1544 ND2 ASN A 105 -3.574 -2.907 10.733 1.00 0.00 N flip ATOM 0 H ASN A 105 -1.431 -1.919 14.843 1.00 0.00 H new ATOM 0 HA ASN A 105 -1.324 -3.277 12.235 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.368 -3.457 13.601 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -3.460 -1.712 13.735 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.634 -3.299 10.675 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -4.165 -2.874 9.902 1.00 0.00 H new ATOM 1551 N ARG A 106 -1.187 -1.277 10.767 1.00 0.00 N ATOM 1552 CA ARG A 106 -0.886 -0.168 9.896 1.00 0.00 C ATOM 1553 C ARG A 106 -2.214 0.468 9.493 1.00 0.00 C ATOM 1554 O ARG A 106 -2.980 -0.114 8.737 1.00 0.00 O ATOM 1555 CB ARG A 106 -0.162 -0.685 8.643 1.00 0.00 C ATOM 1556 CG ARG A 106 0.560 0.373 7.825 1.00 0.00 C ATOM 1557 CD ARG A 106 1.737 0.923 8.603 1.00 0.00 C ATOM 1558 NE ARG A 106 2.562 1.846 7.820 1.00 0.00 N ATOM 1559 CZ ARG A 106 3.754 2.303 8.208 1.00 0.00 C ATOM 1560 NH1 ARG A 106 4.345 1.816 9.304 1.00 0.00 N ATOM 1561 NH2 ARG A 106 4.370 3.192 7.473 1.00 0.00 N ATOM 0 H ARG A 106 -1.295 -2.166 10.278 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.246 0.558 10.397 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.562 -1.441 8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.890 -1.181 8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.905 -0.057 6.885 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.128 1.180 7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.370 1.437 9.491 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.356 0.095 8.948 1.00 0.00 H new ATOM 0 HE ARG A 106 2.202 2.160 6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 106 3.885 1.089 9.851 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.256 2.172 9.593 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.939 3.529 6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.282 3.548 7.760 1.00 0.00 H new ATOM 1575 N VAL A 107 -2.502 1.610 10.017 1.00 0.00 N ATOM 1576 CA VAL A 107 -3.770 2.245 9.759 1.00 0.00 C ATOM 1577 C VAL A 107 -3.568 3.440 8.844 1.00 0.00 C ATOM 1578 O VAL A 107 -2.581 4.172 8.986 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.453 2.683 11.086 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -5.825 3.256 10.827 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -4.559 1.515 12.052 1.00 0.00 C ATOM 0 H VAL A 107 -1.879 2.134 10.632 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.426 1.527 9.268 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.830 3.457 11.535 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.279 3.554 11.772 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.739 4.126 10.176 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.449 2.503 10.346 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.040 1.846 12.972 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.152 0.721 11.599 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.561 1.139 12.279 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.475 3.620 7.902 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.397 4.712 6.951 1.00 0.00 C ATOM 1593 C TYR A 108 -5.585 5.637 7.096 1.00 0.00 C ATOM 1594 O TYR A 108 -6.729 5.195 7.101 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.303 4.189 5.509 1.00 0.00 C ATOM 1596 CG TYR A 108 -2.997 3.502 5.201 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -2.818 2.150 5.444 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -1.934 4.219 4.678 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -1.617 1.536 5.174 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -0.729 3.613 4.408 1.00 0.00 C ATOM 1601 CZ TYR A 108 -0.573 2.274 4.655 1.00 0.00 C ATOM 1602 OH TYR A 108 0.637 1.664 4.392 1.00 0.00 O ATOM 0 H TYR A 108 -5.285 3.014 7.775 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.489 5.274 7.169 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.122 3.492 5.330 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.437 5.022 4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.633 1.570 5.851 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.053 5.274 4.478 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.492 0.481 5.367 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.090 4.189 4.003 1.00 0.00 H new ATOM 0 HH TYR A 108 1.367 2.291 4.578 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.314 6.902 7.228 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.358 7.889 7.366 1.00 0.00 C ATOM 1614 C CYS A 109 -6.504 8.646 6.050 1.00 0.00 C ATOM 1615 O CYS A 109 -5.493 9.038 5.461 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.037 8.849 8.526 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.324 10.080 8.874 1.00 0.00 S ATOM 0 H CYS A 109 -4.368 7.284 7.244 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.302 7.396 7.598 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.863 8.262 9.427 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.107 9.370 8.301 1.00 0.00 H new ATOM 0 HG CYS A 109 -6.949 10.830 9.867 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.761 8.833 5.554 1.00 0.00 N ATOM 1624 CA PRO A 110 -8.030 9.512 4.267 1.00 0.00 C ATOM 1625 C PRO A 110 -7.773 11.015 4.293 1.00 0.00 C ATOM 1626 O PRO A 110 -7.856 11.646 3.255 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.515 9.234 4.008 1.00 0.00 C ATOM 1628 CG PRO A 110 -10.098 8.986 5.356 1.00 0.00 C ATOM 1629 CD PRO A 110 -9.012 8.350 6.182 1.00 0.00 C ATOM 0 HA PRO A 110 -7.362 9.139 3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.996 10.081 3.519 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.648 8.371 3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.435 9.918 5.810 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.967 8.332 5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.077 8.651 7.228 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.077 7.262 6.159 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.535 11.548 5.513 1.00 0.00 N ATOM 1638 CA VAL A 111 -7.154 12.960 5.843 1.00 0.00 C ATOM 1639 C VAL A 111 -7.826 14.110 5.047 1.00 0.00 C ATOM 1640 O VAL A 111 -8.507 14.952 5.642 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.626 13.173 5.993 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -5.113 12.375 7.154 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.873 12.784 4.748 1.00 0.00 C ATOM 0 H VAL A 111 -7.606 10.975 6.354 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.615 13.058 6.826 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.461 14.237 6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.039 12.529 7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.613 12.698 8.067 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.314 11.317 6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.807 12.951 4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.048 11.730 4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.218 13.389 3.910 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.609 14.176 3.742 1.00 0.00 N ATOM 1654 CA ARG A 112 -8.230 15.169 2.910 1.00 0.00 C ATOM 1655 C ARG A 112 -8.167 14.784 1.446 1.00 0.00 C ATOM 1656 O ARG A 112 -7.400 13.897 1.049 1.00 0.00 O ATOM 1657 CB ARG A 112 -7.667 16.575 3.127 1.00 0.00 C ATOM 1658 CG ARG A 112 -6.237 16.845 2.698 1.00 0.00 C ATOM 1659 CD ARG A 112 -5.979 18.334 2.848 1.00 0.00 C ATOM 1660 NE ARG A 112 -4.624 18.770 2.498 1.00 0.00 N ATOM 1661 CZ ARG A 112 -4.257 20.074 2.412 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -5.171 21.040 2.548 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -2.998 20.405 2.174 1.00 0.00 N ATOM 0 H ARG A 112 -6.994 13.536 3.239 1.00 0.00 H new ATOM 0 HA ARG A 112 -9.276 15.202 3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -8.312 17.278 2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.746 16.806 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.540 16.273 3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -6.083 16.533 1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -6.690 18.875 2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -6.180 18.619 3.881 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.920 18.056 2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -6.147 20.798 2.717 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -4.892 22.019 2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.293 19.677 2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.732 21.388 2.111 1.00 0.00 H new ATOM 1677 N THR A 113 -8.966 15.445 0.653 1.00 0.00 N ATOM 1678 CA THR A 113 -9.030 15.189 -0.765 1.00 0.00 C ATOM 1679 C THR A 113 -7.803 15.783 -1.468 1.00 0.00 C ATOM 1680 O THR A 113 -7.387 16.915 -1.149 1.00 0.00 O ATOM 1681 CB THR A 113 -10.335 15.792 -1.324 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.445 15.244 -0.589 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.515 15.492 -2.809 1.00 0.00 C ATOM 0 H THR A 113 -9.596 16.181 0.972 1.00 0.00 H new ATOM 0 HA THR A 113 -9.028 14.114 -0.948 1.00 0.00 H new ATOM 0 HB THR A 113 -10.287 16.875 -1.212 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.429 14.266 -0.653 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.447 15.936 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.680 15.912 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.547 14.413 -2.961 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.202 15.005 -2.362 1.00 0.00 N ATOM 1692 CA CYS A 114 -6.036 15.409 -3.132 1.00 0.00 C ATOM 1693 C CYS A 114 -5.975 14.625 -4.436 1.00 0.00 C ATOM 1694 O CYS A 114 -5.984 13.399 -4.431 1.00 0.00 O ATOM 1695 CB CYS A 114 -4.724 15.217 -2.348 1.00 0.00 C ATOM 1696 SG CYS A 114 -4.519 16.324 -0.930 1.00 0.00 S ATOM 0 H CYS A 114 -7.519 14.059 -2.574 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.141 16.473 -3.343 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.674 14.186 -1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.885 15.362 -3.029 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.665 16.856 -0.626 1.00 0.00 H new ATOM 1702 N GLN A 115 -5.925 15.330 -5.528 1.00 0.00 N ATOM 1703 CA GLN A 115 -5.846 14.722 -6.839 1.00 0.00 C ATOM 1704 C GLN A 115 -4.432 14.903 -7.326 1.00 0.00 C ATOM 1705 O GLN A 115 -3.724 15.753 -6.808 1.00 0.00 O ATOM 1706 CB GLN A 115 -6.789 15.441 -7.812 1.00 0.00 C ATOM 1707 CG GLN A 115 -8.250 15.492 -7.380 1.00 0.00 C ATOM 1708 CD GLN A 115 -8.917 14.129 -7.278 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -9.814 13.938 -6.463 1.00 0.00 O ATOM 1710 NE2 GLN A 115 -8.538 13.201 -8.119 1.00 0.00 N ATOM 0 H GLN A 115 -5.938 16.350 -5.542 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.127 13.670 -6.785 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -6.432 16.461 -7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -6.730 14.947 -8.782 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.314 15.989 -6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.806 16.104 -8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -7.789 13.391 -8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -8.992 12.288 -8.109 1.00 0.00 H new ATOM 1719 N GLY A 116 -4.001 14.139 -8.275 1.00 0.00 N ATOM 1720 CA GLY A 116 -2.693 14.385 -8.802 1.00 0.00 C ATOM 1721 C GLY A 116 -1.868 13.161 -8.982 1.00 0.00 C ATOM 1722 O GLY A 116 -2.324 12.033 -8.749 1.00 0.00 O ATOM 0 H GLY A 116 -4.513 13.362 -8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -2.790 14.889 -9.764 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.168 15.069 -8.135 1.00 0.00 H new ATOM 1726 N VAL A 117 -0.655 13.386 -9.387 1.00 0.00 N ATOM 1727 CA VAL A 117 0.311 12.357 -9.628 1.00 0.00 C ATOM 1728 C VAL A 117 1.541 12.739 -8.833 1.00 0.00 C ATOM 1729 O VAL A 117 2.060 13.860 -9.016 1.00 0.00 O ATOM 1730 CB VAL A 117 0.681 12.241 -11.146 1.00 0.00 C ATOM 1731 CG1 VAL A 117 1.727 11.151 -11.383 1.00 0.00 C ATOM 1732 CG2 VAL A 117 -0.558 11.973 -11.994 1.00 0.00 C ATOM 0 H VAL A 117 -0.298 14.325 -9.565 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.093 11.389 -9.331 1.00 0.00 H new ATOM 0 HB VAL A 117 1.109 13.197 -11.449 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.961 11.097 -12.446 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.632 11.387 -10.824 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.334 10.191 -11.048 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.272 11.897 -13.043 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.022 11.039 -11.676 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.268 12.791 -11.870 1.00 0.00 H new ATOM 1742 N PRO A 118 1.981 11.856 -7.903 1.00 0.00 N ATOM 1743 CA PRO A 118 3.134 12.093 -7.025 1.00 0.00 C ATOM 1744 C PRO A 118 4.341 12.698 -7.761 1.00 0.00 C ATOM 1745 O PRO A 118 4.714 12.235 -8.838 1.00 0.00 O ATOM 1746 CB PRO A 118 3.473 10.697 -6.521 1.00 0.00 C ATOM 1747 CG PRO A 118 2.171 9.988 -6.498 1.00 0.00 C ATOM 1748 CD PRO A 118 1.365 10.537 -7.639 1.00 0.00 C ATOM 0 HA PRO A 118 2.900 12.813 -6.241 1.00 0.00 H new ATOM 0 HB2 PRO A 118 4.185 10.199 -7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.925 10.731 -5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 118 2.313 8.913 -6.606 1.00 0.00 H new ATOM 0 HG3 PRO A 118 1.659 10.148 -5.549 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.417 9.889 -8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.312 10.633 -7.375 1.00 0.00 H new ATOM 1756 N PRO A 119 4.995 13.699 -7.170 1.00 0.00 N ATOM 1757 CA PRO A 119 4.683 14.204 -5.829 1.00 0.00 C ATOM 1758 C PRO A 119 3.577 15.275 -5.798 1.00 0.00 C ATOM 1759 O PRO A 119 3.036 15.590 -4.716 1.00 0.00 O ATOM 1760 CB PRO A 119 6.018 14.834 -5.382 1.00 0.00 C ATOM 1761 CG PRO A 119 6.961 14.712 -6.551 1.00 0.00 C ATOM 1762 CD PRO A 119 6.118 14.426 -7.752 1.00 0.00 C ATOM 0 HA PRO A 119 4.304 13.404 -5.193 1.00 0.00 H new ATOM 0 HB2 PRO A 119 5.880 15.878 -5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.416 14.320 -4.507 1.00 0.00 H new ATOM 0 HG2 PRO A 119 7.530 15.632 -6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.683 13.912 -6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 119 5.797 15.340 -8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.651 13.829 -8.492 1.00 0.00 H new ATOM 1770 N ASN A 120 3.196 15.785 -6.965 1.00 0.00 N ATOM 1771 CA ASN A 120 2.269 16.915 -7.029 1.00 0.00 C ATOM 1772 C ASN A 120 0.839 16.498 -6.755 1.00 0.00 C ATOM 1773 O ASN A 120 0.166 15.884 -7.589 1.00 0.00 O ATOM 1774 CB ASN A 120 2.342 17.650 -8.368 1.00 0.00 C ATOM 1775 CG ASN A 120 1.481 18.914 -8.372 1.00 0.00 C ATOM 1776 OD1 ASN A 120 1.309 19.568 -7.338 1.00 0.00 O ATOM 1777 ND2 ASN A 120 0.940 19.265 -9.509 1.00 0.00 N ATOM 0 H ASN A 120 3.510 15.440 -7.872 1.00 0.00 H new ATOM 0 HA ASN A 120 2.586 17.600 -6.243 1.00 0.00 H new ATOM 0 HB2 ASN A 120 3.378 17.915 -8.581 1.00 0.00 H new ATOM 0 HB3 ASN A 120 2.013 16.984 -9.166 1.00 0.00 H new ATOM 0 HD21 ASN A 120 0.357 20.100 -9.560 1.00 0.00 H new ATOM 0 HD22 ASN A 120 1.101 18.704 -10.345 1.00 0.00 H new ATOM 1784 N HIS A 121 0.425 16.783 -5.561 1.00 0.00 N ATOM 1785 CA HIS A 121 -0.918 16.546 -5.096 1.00 0.00 C ATOM 1786 C HIS A 121 -1.698 17.859 -4.993 1.00 0.00 C ATOM 1787 O HIS A 121 -1.256 18.794 -4.325 1.00 0.00 O ATOM 1788 CB HIS A 121 -0.909 15.757 -3.768 1.00 0.00 C ATOM 1789 CG HIS A 121 -0.057 16.349 -2.675 1.00 0.00 C ATOM 1790 ND1 HIS A 121 1.311 16.154 -2.591 1.00 0.00 N ATOM 1791 CD2 HIS A 121 -0.381 17.120 -1.620 1.00 0.00 C ATOM 1792 CE1 HIS A 121 1.773 16.774 -1.534 1.00 0.00 C ATOM 1793 NE2 HIS A 121 0.774 17.367 -0.932 1.00 0.00 N ATOM 0 H HIS A 121 1.029 17.202 -4.853 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.437 15.927 -5.828 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.934 15.677 -3.405 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.562 14.743 -3.969 1.00 0.00 H new ATOM 0 HD1 HIS A 121 1.871 15.612 -3.249 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -1.368 17.476 -1.365 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.804 16.793 -1.213 1.00 0.00 H new ATOM 1802 N ILE A 122 -2.818 17.919 -5.641 1.00 0.00 N ATOM 1803 CA ILE A 122 -3.691 19.081 -5.629 1.00 0.00 C ATOM 1804 C ILE A 122 -4.733 18.877 -4.526 1.00 0.00 C ATOM 1805 O ILE A 122 -5.601 18.007 -4.651 1.00 0.00 O ATOM 1806 CB ILE A 122 -4.424 19.234 -6.991 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -3.404 19.248 -8.140 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -5.271 20.508 -7.005 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -4.020 19.332 -9.524 1.00 0.00 C ATOM 0 H ILE A 122 -3.172 17.150 -6.211 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.098 19.978 -5.452 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.091 18.382 -7.128 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.732 20.095 -8.003 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -2.796 18.346 -8.081 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.777 20.598 -7.966 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.013 20.460 -6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.628 21.374 -6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -3.229 19.337 -10.274 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -4.669 18.472 -9.686 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.605 20.248 -9.607 1.00 0.00 H new ATOM 1821 N PRO A 123 -4.649 19.637 -3.433 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.530 19.461 -2.290 1.00 0.00 C ATOM 1823 C PRO A 123 -6.901 20.134 -2.440 1.00 0.00 C ATOM 1824 O PRO A 123 -7.059 21.143 -3.154 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.743 20.102 -1.151 1.00 0.00 C ATOM 1826 CG PRO A 123 -3.932 21.177 -1.798 1.00 0.00 C ATOM 1827 CD PRO A 123 -3.680 20.737 -3.222 1.00 0.00 C ATOM 0 HA PRO A 123 -5.775 18.409 -2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -5.410 20.513 -0.393 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -4.105 19.372 -0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -4.463 22.128 -1.776 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.992 21.325 -1.267 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -3.842 21.553 -3.927 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.654 20.397 -3.359 1.00 0.00 H new ATOM 1835 N GLY A 124 -7.880 19.545 -1.799 1.00 0.00 N ATOM 1836 CA GLY A 124 -9.203 20.098 -1.745 1.00 0.00 C ATOM 1837 C GLY A 124 -9.532 20.514 -0.328 1.00 0.00 C ATOM 1838 O GLY A 124 -8.755 21.253 0.299 1.00 0.00 O ATOM 0 H GLY A 124 -7.777 18.663 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.274 20.958 -2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.928 19.363 -2.095 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.633 20.015 0.196 1.00 0.00 N ATOM 1843 CA VAL A 125 -11.043 20.334 1.555 1.00 0.00 C ATOM 1844 C VAL A 125 -10.230 19.490 2.536 1.00 0.00 C ATOM 1845 O VAL A 125 -10.028 18.283 2.311 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.574 20.087 1.776 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -12.996 20.429 3.202 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -13.397 20.897 0.785 1.00 0.00 C ATOM 0 H VAL A 125 -11.264 19.384 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.856 21.394 1.727 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.760 19.026 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.064 20.246 3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.442 19.807 3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -12.784 21.479 3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.457 20.711 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -13.188 21.958 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -13.136 20.602 -0.231 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.724 20.134 3.567 1.00 0.00 N ATOM 1859 CA ALA A 126 -8.945 19.491 4.597 1.00 0.00 C ATOM 1860 C ALA A 126 -9.843 19.081 5.738 1.00 0.00 C ATOM 1861 O ALA A 126 -10.664 19.868 6.182 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.864 20.437 5.100 1.00 0.00 C ATOM 0 H ALA A 126 -9.846 21.136 3.713 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.470 18.602 4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.281 19.943 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.208 20.712 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.328 21.334 5.509 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.710 17.861 6.212 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.527 17.413 7.327 1.00 0.00 C ATOM 1870 C TRP A 127 -9.680 17.307 8.581 1.00 0.00 C ATOM 1871 O TRP A 127 -10.099 16.756 9.590 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.207 16.079 7.006 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.039 16.133 5.758 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -12.937 17.099 5.421 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -12.067 15.174 4.695 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.508 16.815 4.212 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -12.996 15.638 3.743 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -11.397 13.974 4.452 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.270 14.947 2.572 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.670 13.290 3.289 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.600 13.779 2.364 1.00 0.00 C ATOM 0 H TRP A 127 -9.055 17.168 5.851 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.313 18.148 7.502 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.446 15.306 6.896 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -11.838 15.788 7.845 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.166 17.966 6.023 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.204 17.389 3.736 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.679 13.590 5.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -13.986 15.320 1.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -11.158 12.361 3.087 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.791 13.216 1.462 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.505 17.876 8.511 1.00 0.00 N ATOM 1893 CA GLY A 128 -7.590 17.876 9.603 1.00 0.00 C ATOM 1894 C GLY A 128 -6.418 18.736 9.254 1.00 0.00 C ATOM 1895 O GLY A 128 -6.276 19.136 8.085 1.00 0.00 O ATOM 0 H GLY A 128 -8.160 18.356 7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.078 18.251 10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.261 16.860 9.819 1.00 0.00 H new ATOM 1899 N VAL A 129 -5.572 18.999 10.210 1.00 0.00 N ATOM 1900 CA VAL A 129 -4.441 19.876 10.012 1.00 0.00 C ATOM 1901 C VAL A 129 -3.141 19.083 10.065 1.00 0.00 C ATOM 1902 O VAL A 129 -2.922 18.294 10.988 1.00 0.00 O ATOM 1903 CB VAL A 129 -4.415 20.998 11.094 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -3.219 21.929 10.916 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -5.713 21.793 11.070 1.00 0.00 C ATOM 0 H VAL A 129 -5.643 18.613 11.152 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.540 20.338 9.030 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.314 20.513 12.065 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -3.237 22.697 11.689 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.296 21.355 10.996 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.268 22.401 9.935 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -5.677 22.572 11.832 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -5.841 22.251 10.089 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.552 21.127 11.272 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.308 19.276 9.066 1.00 0.00 N ATOM 1916 CA PHE A 130 -1.017 18.626 8.997 1.00 0.00 C ATOM 1917 C PHE A 130 0.020 19.551 9.579 1.00 0.00 C ATOM 1918 O PHE A 130 0.086 20.738 9.202 1.00 0.00 O ATOM 1919 CB PHE A 130 -0.635 18.314 7.549 1.00 0.00 C ATOM 1920 CG PHE A 130 -1.605 17.446 6.814 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -1.483 16.073 6.848 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -2.632 18.009 6.075 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -2.367 15.277 6.160 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -3.517 17.219 5.389 1.00 0.00 C ATOM 1925 CZ PHE A 130 -3.386 15.854 5.428 1.00 0.00 C ATOM 0 H PHE A 130 -2.507 19.890 8.276 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.067 17.691 9.555 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -0.528 19.253 7.007 1.00 0.00 H new ATOM 0 HB3 PHE A 130 0.341 17.829 7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -0.687 15.620 7.420 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -2.737 19.083 6.039 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -2.265 14.202 6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -4.316 17.670 4.819 1.00 0.00 H new ATOM 0 HZ PHE A 130 -4.081 15.230 4.886 1.00 0.00 H new ATOM 1935 N LYS A 131 0.808 19.052 10.477 1.00 0.00 N ATOM 1936 CA LYS A 131 1.823 19.827 11.104 1.00 0.00 C ATOM 1937 C LYS A 131 3.060 18.945 11.292 1.00 0.00 C ATOM 1938 O LYS A 131 3.151 18.216 12.284 1.00 0.00 O ATOM 1939 CB LYS A 131 1.279 20.375 12.432 1.00 0.00 C ATOM 1940 CG LYS A 131 2.151 21.418 13.111 1.00 0.00 C ATOM 1941 CD LYS A 131 1.429 22.052 14.299 1.00 0.00 C ATOM 1942 CE LYS A 131 1.106 21.044 15.404 1.00 0.00 C ATOM 1943 NZ LYS A 131 2.316 20.517 16.061 1.00 0.00 N ATOM 1944 OXT LYS A 131 3.941 18.951 10.405 1.00 0.00 O ATOM 0 H LYS A 131 0.762 18.085 10.797 1.00 0.00 H new ATOM 0 HA LYS A 131 2.113 20.682 10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 131 0.296 20.810 12.251 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.137 19.541 13.119 1.00 0.00 H new ATOM 0 HG2 LYS A 131 3.078 20.956 13.450 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.424 22.191 12.393 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.048 22.849 14.711 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.504 22.513 13.952 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.470 21.520 16.150 1.00 0.00 H new ATOM 0 HE3 LYS A 131 0.537 20.216 14.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.041 19.878 16.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.888 19.995 15.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.874 21.306 16.446 1.00 0.00 H new